2-[(2-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole

C19H19ClN2 — CID 46198734

IUPAC2-[(2-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole
SMILESCC(C)c1ccc(-c2cnc(Cc3ccccc3Cl)[nH]2)cc1
InChIInChI=1S/C19H19ClN2/c1-13(2)14-7-9-15(10-8-14)18-12-21-19(22-18)11-16-5-3-4-6-17(16)20/h3-10,12-13H,11H2,1-2H3,(H,21,22)
InChIKeyCDJZIKIBVXNLEA-UHFFFAOYSA-N
MW310.83 g/mol
LogP5.44
Rot. Bonds4

About 2-[(2-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole

2-[(2-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole (PubChem CID 46198734) has the molecular formula C19H19ClN2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole
PubChem CID46198734
Molecular FormulaC19H19ClN2
Molecular Weight310.83 g/mol
Exact Mass310.12
IUPAC Name2-[(2-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole
SMILESCC(C)c1ccc(-c2cnc(Cc3ccccc3Cl)[nH]2)cc1
InChIInChI=1S/C19H19ClN2/c1-13(2)14-7-9-15(10-8-14)18-12-21-19(22-18)11-16-5-3-4-6-17(16)20/h3-10,12-13H,11H2,1-2H3,(H,21,22)
InChIKeyCDJZIKIBVXNLEA-UHFFFAOYSA-N
XLogP5.44
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.83
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole (CID 46198734) is 2-[(2-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole is CC(C)c1ccc(-c2cnc(Cc3ccccc3Cl)[nH]2)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole?
The InChIKey is CDJZIKIBVXNLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2/c1-13(2)14-7-9-15(10-8-14)18-12-21-19(22-18)11-16-5-3-4-6-17(16)20/h3-10,12-13H,11H2,1-2H3,(H,21,22).
What are the key properties of 2-[(2-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole?
2-[(2-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole has a molecular weight of 310.83 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole is sourced from PubChem (CID 46198734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).